产品名称 碘乙腈
CAS号624-75-9
分子式C2H2IN
分子量166.95
InChIInChI=1S/C2H2IN/c3-1-2-4/h1H2
InChIKeyVODKOOOHHCAWFR-UHFFFAOYSA-N
SmilesC(#N)CI
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Mass
MS-IW-8608 iodoacetonitrile C2H2IN (Mass of molecular ion: 167)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
13.0 1.0 28.0 1.2 38.0 3.0 39.0 2.8 40.0 46.8 41.0 3.3 43.0 1.6 127.0 43.0 128.0 4.5 139.0 5.8 140.0 1.5 141.0 1.2 166.0 3.5 167.0 100.0 168.0 3.3
parameter in CDCl3
Parameter ppm Hz D(A) 3.553 J(H,C-13)=160 HZ.
Hz ppm Int.
1065.90 3.553 1000
in CDCl3
liquid film
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